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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameC-C chemokine receptor type 8
SpeciesHomo sapiens (Human)
GeneCCR8
SynonymGPRCY6
GPR-CY6
CMKBRL2
CKR-L1
ChemR1
[ Show all ]
DiseasePsoriasis
Length355
Amino acid sequenceMDYTLDLSVTTVTDYYYPDIFSSPCDAELIQTNGKLLLAVFYCLLFVFSLLGNSLVILVLVVCKKLRSITDVYLLNLALSDLLFVFSFPFQTYYLLDQWVFGTVMCKVVSGFYYIGFYSSMFFITLMSVDRYLAVVHAVYALKVRTIRMGTTLCLAVWLTAIMATIPLLVFYQVASEDGVLQCYSFYNQQTLKWKIFTNFKMNILGLLIPFTIFMFCYIKILHQLKRCQNHNKTKAIRLVLIVVIASLLFWVPFNVVLFLTSLHSMHILDGCSISQQLTYATHVTEIISFTHCCVNPVIYAFVGEKFKKHLSEIFQKSCSQIFNYLGRQMPRESCEKSSSCQQHSSRSSSVDYIL
UniProtP51685
Protein Data BankN/A
GPCR-HGmod modelP51685
3D structure modelThis predicted structure model is from GPCR-EXP P51685.
BioLiPN/A
Therapeutic Target DatabaseT20575
ChEMBLCHEMBL4596
IUPHAR65
DrugBankN/A

Ligand

NameCHEMBL217979
Molecular formulaC25H27N3O4S
IUPAC nameN-[4-[(1-butanoylazetidin-3-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
Molecular weight465.568
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50203848
N-(4-{[(1-butyrylazetidin-3-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
Inchi KeyGTSAXRXSYRUOES-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O4S/c1-3-8-24(29)28-15-18(16-28)27-33(31,32)23-14-13-22(20-11-6-7-12-21(20)23)26-25(30)19-10-5-4-9-17(19)2/h4-7,9-14,18,27H,3,8,15-16H2,1-2H3,(H,26,30)
PubChem CID16105844
ChEMBLCHEMBL217979
IUPHARN/A
BindingDB50203848
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki50.9 nMPMID17266208BindingDB,ChEMBL

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